E737-0582 Screening compound: 3-benzyl-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0582 Screening compound: 3-benzyl-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0582 Screening compound: 3-benzyl-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0582
3-benzyl-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E737-0582

Molecular Formula

C28H32N4O3 (C28 H32 N4 O3)

Compound Name

3-benzyl-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

3-benzyl-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-58-dimethyl-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

CCC(CCCC1)N1C(CN(c1c(C(N2Cc3ccccc3)=O)n(C)c3c1cc(C)cc3)C2=O)=O

InChI

InChI=1S/C28H32N4O3/c1-4-21-12-8-9-15-30(21)24(33)18-31-25-22-16-19(2)13-14-23(22)29(3)26(25)27(34)32(28(31)35)17-20-10-6-5-7-11-20/h5-7,10-11,13-14,16,21H,4,8-9,12,15,17-18H2,1-3H3/t21-/m0/s1

InChI Key

BIMMWRODNHDGKA-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14914103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.30

Polar Surface Area

50.386

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with E737-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0582?
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What is the minimum amount of E737-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0582
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E737-0582 available by request